CID 85839614

Ethyl 4-formyl-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C7H7NO3S
SMILES
CCOC(=O)C1=C(N=CS1)C=O
InChI
InChI=1S/C7H7NO3S/c1-2-11-7(10)6-5(3-9)8-4-12-6/h3-4H,2H2,1H3
InChIKey
DEJTUYUMZSPGCM-UHFFFAOYSA-N
Compound name
ethyl 4-formyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

185.01466 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.02194 136.5
[M+Na]+ 208.00388 146.2
[M-H]- 184.00738 139.7
[M+NH4]+ 203.04848 157.6
[M+K]+ 223.97782 144.8
[M+H-H2O]+ 168.01192 130.8
[M+HCOO]- 230.01286 156.0
[M+CH3COO]- 244.02851 177.4
[M+Na-2H]- 205.98933 138.2
[M]+ 185.01411 141.8
[M]- 185.01521 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe